1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile

C20H19N3 — CID 82220313

IUPAC1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile
SMILESCCCc1ccc(-c2cc(C#N)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C20H19N3/c1-3-4-16-7-9-17(10-8-16)20-13-18(14-21)22-23(20)19-11-5-15(2)6-12-19/h5-13H,3-4H2,1-2H3
InChIKeyBITMZWZPIHLKCQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.67
Rot. Bonds4

About 1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile

1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile (PubChem CID 82220313) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile
PubChem CID82220313
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile
SMILESCCCc1ccc(-c2cc(C#N)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C20H19N3/c1-3-4-16-7-9-17(10-8-16)20-13-18(14-21)22-23(20)19-11-5-15(2)6-12-19/h5-13H,3-4H2,1-2H3
InChIKeyBITMZWZPIHLKCQ-UHFFFAOYSA-N
XLogP4.67
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 82220131
5-(4-methylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carbonitrile
CID 19886221
1,5-bis(4-chlorophenyl)pyrazole-3-carbonitrile
CID 94962068
5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile
CID 82220312
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)pyrazole-3-carbonitrile
CID 94962081
1-(3-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyrazole-3-carbonitrile
CID 94962258
5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile
CID 39361106
1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile
CID 94962234
1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 94962094
5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 58806840
5-(4-tert-butylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 94962087
4-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]benzonitrile
CID 118152156

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile?
The IUPAC name of 1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile (CID 82220313) is 1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile?
The canonical SMILES for 1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile is CCCc1ccc(-c2cc(C#N)nn2-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile?
The InChIKey is BITMZWZPIHLKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-3-4-16-7-9-17(10-8-16)20-13-18(14-21)22-23(20)19-11-5-15(2)6-12-19/h5-13H,3-4H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile?
1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile has a molecular weight of 301.39 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 82220313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).